Vitas-M small molecule compound

N-{[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl}-2-nitrobenzamide

Catalog ID
STK234116
SMILES CCCCC(=O)Nc1ccc(cc1OC)NC(=S)NC(=O)c1ccccc1[N+](=O)[O-]

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C20H22N4O5S MW 430.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O5S/c1-3-4-9-18(25)22-15-11-10-13(12-17(15)29-2)21-20(30)23-19(26)14-7-5-6-8-16(14)24(27)28/h5-8,10-12H,3-4,9H2,1-2H3,(H,22,25)(H2,21,23,26,30)
InChIKey
NRPPXKAHIBIAMM-UHFFFAOYSA-N
Synonyms

CCCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2(N+)(=O)(O))OC
CCCCC(=O)Nc1ccc(cc1OC)NC(=S)NC(=O)c1ccccc1(N+)(=O)(O)
InChI=1SC20H22N4O5Sc134918(25)2215111013(1217(15)292)2120(30)2319(26)14756816(14)24(27)28h581012H349H212H3(H2225)(H221232630)
MFCD03556117
N((3methoxy4(pentanoylamino)phenyl)carbamothioyl)2nitrobenzamide
ZINC000001848383
ZINC01848383
ZINC1848383

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.